CID 15504062

5-bromo-1h,2h,3h-pyrrolo[2,3-b]pyridin-2-one

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1C2=C(NC1=O)N=CC(=C2)Br
InChI
InChI=1S/C7H5BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
InChIKey
DHPKTHROZFIEJK-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
Patents

211.95853 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 135.6
[M+Na]+ 234.947748 149.0
[M-H]- 210.951254 139.5
[M+NH4]+ 229.992353 157.8
[M+K]+ 250.921688 137.6
[M+H-H2O]+ 194.955790 135.8
[M+HCOO]- 256.956731 154.2
[M+CH3COO]- 270.972381 150.8
[M+Na-2H]- 232.933196 143.5
[M]+ 211.95798142 152.4
[M]- 211.95907858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe